scholarly journals DFT Study of Se-Doped Nanocones as Highly Efficient Hydrogen Storage Carrier

Graphene ◽  
2021 ◽  
Vol 10 (04) ◽  
pp. 49-60
Author(s):  
Ahlam Abdulmonem Ahmed EL-Barbary ◽  
Mohammed Ahmed Alkhateeb
Keyword(s):  
Hydrogen Storage ◽  
Dft Study ◽  
Highly Efficient

Ti decorated B8 as a potential hydrogen storage material: A DFT study with van der Waals corrections

2021 ◽  
Vol 765 ◽  
pp. 138277
Author(s):  
Pingping Liu ◽  
Yafei Zhang ◽  
Xiangjun Xu ◽  
Fangming Liu ◽  
Jibiao Li
Keyword(s):  
Hydrogen Storage ◽  
Van Der Waals ◽  
Dft Study ◽  
Hydrogen Storage Material ◽  
Storage Material

nA DFT study on the outstanding hydrogen storage performance of the Ti-decorated MoS2 monolayer

2021 ◽  
pp. 101329
Author(s):  
Shulin Yang ◽  
Xueting Wang ◽  
Gu Lei ◽  
Huoxi Xu ◽  
Zhao Wang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Dft Study ◽  
Storage Performance ◽  
Mos2 Monolayer ◽  
Hydrogen Storage Performance

A DFT study of hydrogen storage on surface (110) of Mg1−xAlx (0 ≤ x ≤ 0.1)

2016 ◽  
Vol 41 (48) ◽  
pp. 23388-23393 ◽  
Author(s):  
G. Ramírez-Dámaso ◽  
I.E. Ramírez-Platón ◽  
E. López-Chávez ◽  
F.L. Castillo-Alvarado ◽  
A. Cruz-Torres ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Dft Study

The hydrolysis of ammonia borane catalyzed by NiCoP/OPC-300 nanocatalysts: high selectivity and efficiency, and mechanism

2019 ◽  
Vol 21 (4) ◽  
pp. 850-860 ◽  
Author(s):  
Xiaopeng Qu ◽  
Rui Jiang ◽  
Qian Li ◽  
Fanan Zeng ◽  
Xue Zheng ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
High Selectivity ◽  
Clean Energy ◽  
Ammonia Borane ◽  
Hydrogen Storage Materials ◽  
Storage Materials ◽  
Highly Efficient ◽  
Energy Economy ◽  
Chemical Hydrogen Storage ◽  
Hydrolysis Of

The development of highly efficient and cheap catalysts for the release of hydrogen from chemical hydrogen-storage materials is indispensable for the coming clean energy economy.

scholarly journals Highly-efficient charge separation and polaron delocalization in polymer–fullerene bulk-heterojunctions: a comparative multi-frequency EPR and DFT study

2013 ◽  
Vol 15 (24) ◽  
pp. 9562 ◽  
Author(s):  
Jens Niklas ◽  
Kristy L. Mardis ◽  
Brian P. Banks ◽  
Gregory M. Grooms ◽  
Andreas Sperlich ◽  
...  
Keyword(s):  
Charge Separation ◽  
Dft Study ◽  
Bulk Heterojunctions ◽  
Highly Efficient ◽  
Efficient Charge
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